Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
4.55 |
12.69 |
-46.71 |
3 |
6 |
1 |
65 |
512.703 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
4.55 |
10.33 |
-13.51 |
2 |
6 |
0 |
64 |
511.695 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.55 |
12.58 |
-50.3 |
3 |
6 |
1 |
65 |
512.703 |
7 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
VGFR2-1-E |
Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
2777 |
0.21 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
VGFR2_HUMAN |
P35968
|
Vascular Endothelial Growth Factor Receptor 2, Human |
2777 |
0.21 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
EPHA-mediated growth cone collapse |
|
Integrin cell surface interactions |
|
Neurophilin interactions with VEGF and VEGFR |
|
VEGF binds to VEGFR leading to receptor dimerization |
|
VEGFA-VEGFR2 Pathway |
|
VEGFR2 mediated cell proliferation |
|
No pre-computed analogs available. Try a structural similarity search.